N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine

C14H27N3O2 — CID 114661573

IUPACN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1c(OC)cnn1CC)C(C)(CC)OC
InChIInChI=1S/C14H27N3O2/c1-7-14(4,19-6)13(15-8-2)12-11(18-5)10-16-17(12)9-3/h10,13,15H,7-9H2,1-6H3
InChIKeyHAJROGZEODJCFT-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds8

About N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine (PubChem CID 114661573) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
PubChem CID114661573
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1c(OC)cnn1CC)C(C)(CC)OC
InChIInChI=1S/C14H27N3O2/c1-7-14(4,19-6)13(15-8-2)12-11(18-5)10-16-17(12)9-3/h10,13,15H,7-9H2,1-6H3
InChIKeyHAJROGZEODJCFT-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114661589
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239831
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
[2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylbutyl]hydrazine
CID 105274784
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine (CID 114661573) is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine is CCNC(c1c(OC)cnn1CC)C(C)(CC)OC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine?
The InChIKey is HAJROGZEODJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-7-14(4,19-6)13(15-8-2)12-11(18-5)10-16-17(12)9-3/h10,13,15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine?
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 114661573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).